Poly[μ-(5,5'-diazenediylditetra-zolido)-dicaesium].

The asymmetric unit of the title compound, [Cs(2)(C(2)N(10))](n), comprises a Cs(+) cation, and one-half of a 5,5'-diazenediylditetra-zolide anion. The Cs(+) cation is six-coordinated by N atoms from six 5,5'-diazenediylditetra-zolide ligands. Each 5,5'-diazenediylditetra-zolide ligand is surrounded by 12 Cs(+) cations, coordinating through ten N atoms. The Cs(+) cations are arranged in a chain along the a-axis direction with a Cs⋯Cs separation of 4.4393 (10) Å. Such coordination leads to the formation of the three-dimensional framework.

Related literature

For applications of 5,5′-diazenediylditetra­zolide salts, see: Hammerl et al. (2001 ▶). For the synthesis of sodium 5,5′-diazenediylditetra­zolide, see: Thiele (1892 ▶). For the synthesis and characterization of alkali and alkaline earth metal salts of 5,5′-diazenediylditetra­zolide, see: Hammerl et al. (2002 ▶); Steinhauser et al. (2009 ▶). For Cs—N bond lengths, see: Ebespächer et al. (2009 ▶).

Experimental

Crystal data

[Cs2(C2N10)]

M = 429.94

Monoclinic,

a = 4.4393 (9) Å

b = 8.7151 (17) Å

c = 11.860 (2) Å

β = 93.83 (3)°

V = 457.82 (16) Å3

Z = 2

Mo Kα radiation

μ = 7.94 mm−1

T = 293 K

0.42 × 0.26 × 0.07 mm

Data collection

Bruker SMART CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2007 ▶) T min = 0.135, T max = 0.606

4146 measured reflections

842 independent reflections

747 reflections with I > 2σ(I)

R int = 0.047

Refinement

R[F 2 > 2σ(F 2)] = 0.031

wR(F 2) = 0.082

S = 1.15

842 reflections

64 parameters

Δρmax = 1.36 e Å−3

Δρmin = −1.47 e Å−3

Data collection: SMART (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811008312/nk2085sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811008312/nk2085Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Cs2(C2N10)]	F(000) = 384
Mr = 429.94	Dx = 3.119 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 1601 reflections
a = 4.4393 (9) Å	θ = 3.4–25.4°
b = 8.7151 (17) Å	µ = 7.94 mm−1
c = 11.860 (2) Å	T = 293 K
β = 93.83 (3)°	Block, yellow
V = 457.82 (16) Å3	0.42 × 0.26 × 0.07 mm
Z = 2

Bruker SMART CCD diffractometer	842 independent reflections
Radiation source: fine-focus sealed tube	747 reflections with I > 2σ(I)
graphite	Rint = 0.047
φ and ω scans	θmax = 25.3°, θmin = 3.4°
Absorption correction: multi-scan (SADABS; Bruker, 2007)	h = −5→4
Tmin = 0.135, Tmax = 0.606	k = −10→10
4146 measured reflections	l = −12→14

Refinement on F2	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F2 > 2σ(F2)] = 0.031	Secondary atom site location: difference Fourier map
wR(F2) = 0.082	w = 1/[σ2(Fo2) + (0.0385P)2 + 0.5977P] where P = (Fo2 + 2Fc2)/3
S = 1.15	(Δ/σ)max < 0.001
842 reflections	Δρmax = 1.36 e Å−3
64 parameters	Δρmin = −1.46 e Å−3

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
Cs1	0.08959 (8)	0.47092 (5)	0.19017 (3)	0.0345 (2)
C1	−0.2743 (12)	0.3536 (7)	0.4829 (5)	0.0246 (13)
N1	−0.3813 (11)	0.3517 (6)	0.3756 (4)	0.0320 (12)
N2	−0.5901 (11)	0.2386 (6)	0.3729 (5)	0.0346 (13)
N3	−0.6023 (13)	0.1805 (6)	0.4744 (5)	0.0389 (14)
N4	−0.4029 (13)	0.2515 (7)	0.5477 (5)	0.0379 (14)
N5	−0.0545 (11)	0.4536 (6)	0.5334 (5)	0.0293 (12)

	U11	U22	U33	U12	U13	U23
Cs1	0.0288 (3)	0.0391 (3)	0.0354 (3)	−0.00007 (16)	0.0014 (2)	0.00540 (17)
C1	0.022 (3)	0.026 (3)	0.026 (3)	0.005 (3)	0.001 (2)	−0.001 (3)
N1	0.028 (3)	0.035 (3)	0.032 (3)	−0.004 (2)	−0.001 (2)	−0.007 (3)
N2	0.026 (3)	0.034 (3)	0.043 (3)	−0.002 (2)	0.001 (2)	−0.009 (3)
N3	0.031 (3)	0.029 (3)	0.057 (4)	0.003 (2)	0.004 (3)	0.008 (3)
N4	0.031 (3)	0.040 (3)	0.042 (3)	0.001 (3)	0.001 (3)	0.009 (3)
N5	0.025 (3)	0.032 (3)	0.031 (3)	0.002 (2)	0.003 (2)	−0.003 (2)

Cs1—N2i	3.225 (6)	N1—N2	1.352 (7)
Cs1—N3ii	3.260 (6)	N2—N3	1.311 (8)
Cs1—N2iii	3.270 (5)	N2—Cs1vi	3.225 (6)
Cs1—N4iv	3.301 (6)	N2—Cs1vii	3.270 (5)
Cs1—N1	3.301 (5)	N2—Cs1viii	3.341 (5)
Cs1—N2v	3.341 (5)	N3—N4	1.349 (8)
C1—N1	1.329 (7)	N3—Cs1ix	3.260 (6)
C1—N4	1.329 (8)	N4—Cs1x	3.301 (6)
C1—N5	1.411 (8)	N5—N5xi	1.252 (10)
N2i—Cs1—N3ii	94.82 (14)	N4—C1—N5	118.7 (5)
N2i—Cs1—N2iii	149.65 (5)	C1—N1—N2	103.4 (5)
N3ii—Cs1—N2iii	115.02 (14)	C1—N1—Cs1	115.6 (4)
N3ii—Cs1—N1i	94.53 (14)	N2—N1—Cs1	132.6 (4)
N2iii—Cs1—N1i	145.48 (14)	N3—N2—N1	109.3 (5)
N2i—Cs1—N4iv	102.85 (14)	N3—N2—Cs1vi	144.7 (4)
N3ii—Cs1—N4iv	70.05 (14)	N1—N2—Cs1vi	80.2 (3)
N2iii—Cs1—N4iv	83.47 (14)	N3—N2—Cs1vii	82.3 (4)
N2i—Cs1—N1	68.00 (13)	N1—N2—Cs1vii	168.2 (4)
N3ii—Cs1—N1	135.48 (14)	N3—N2—Cs1viii	90.3 (4)
N2iii—Cs1—N1	85.81 (13)	N1—N2—Cs1viii	92.8 (3)
N4iv—Cs1—N1	74.28 (13)	N2—N3—N4	110.4 (5)
N2i—Cs1—N2v	108.58 (7)	N2—N3—Cs1ix	157.3 (4)
N3ii—Cs1—N2v	77.69 (14)	N4—N3—Cs1ix	88.4 (4)
N2iii—Cs1—N2v	84.36 (13)	C1—N4—N3	102.9 (5)
N4iv—Cs1—N2v	136.31 (13)	C1—N4—Cs1x	113.2 (4)
N1—Cs1—N2v	146.00 (14)	N3—N4—Cs1x	116.4 (4)
N1—C1—N4	113.9 (5)	N5xi—N5—C1	114.6 (7)
N1—C1—N5	127.4 (6)